[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)acetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-methylpentanoate

C47H61NO37 — CID 158993180

IUPAC[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)acetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-methylpentanoate
SMILESCC(C)CCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCCOCCOC(=O)COC(=O)COC(=O)COC(=O)COC(=O)COC(=O)COC(=O)COC(=O)COC(=O)CNC(C)C
InChIInChI=1S/C47H61NO37/c1-28(2)5-6-30(49)70-14-34(53)74-18-38(57)78-22-42(61)82-26-46(65)84-24-44(63)80-20-40(59)76-16-36(55)72-12-32(51)68-9-7-67-8-10-69-33(52)13-73-37(56)17-77-41(60)21-81-45(64)25-85-47(66)27-83-43(62)23-79-39(58)19-75-35(54)15-71-31(50)11-48-29(3)4/h28-29,48H,5-27H2,1-4H3
InChIKeyIOOKUZJTCLYQNW-UHFFFAOYSA-N
MW1231.97 g/mol
LogP-5.79
Rot. Bonds44

About [2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)acetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-methylpentanoate

[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)acetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-methylpentanoate (PubChem CID 158993180) has the molecular formula C47H61NO37 and a molecular weight of 1231.97 g/mol. Its IUPAC name is [2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)acetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-methylpentanoate.

Molecular Properties

Compound Name[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)acetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-methylpentanoate
PubChem CID158993180
Molecular FormulaC47H61NO37
Molecular Weight1231.97 g/mol
Exact Mass1231.29
IUPAC Name[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)acetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-methylpentanoate
SMILESCC(C)CCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCCOCCOC(=O)COC(=O)COC(=O)COC(=O)COC(=O)COC(=O)COC(=O)COC(=O)COC(=O)CNC(C)C
InChIInChI=1S/C47H61NO37/c1-28(2)5-6-30(49)70-14-34(53)74-18-38(57)78-22-42(61)82-26-46(65)84-24-44(63)80-20-40(59)76-16-36(55)72-12-32(51)68-9-7-67-8-10-69-33(52)13-73-37(56)17-77-41(60)21-81-45(64)25-85-47(66)27-83-43(62)23-79-39(58)19-75-35(54)15-71-31(50)11-48-29(3)4/h28-29,48H,5-27H2,1-4H3
InChIKeyIOOKUZJTCLYQNW-UHFFFAOYSA-N
XLogP-5.79
TPSA494.66 Ų
H-Bond Donors1
H-Bond Acceptors38
Rotatable Bonds44
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001231.97
LogP ≤ 5-5.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)acetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-methylpentanoate with MolForge

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Related Compounds

2-[2-[2-[2-(4-methylpentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylpentanoate
CID 88715072
2-[2-[2-[2-(6-methylheptanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 6-methylheptanoate
CID 141228778
2-[2-[2-(6-methylheptanoyloxy)ethoxy]ethoxy]ethyl 6-methylheptanoate
CID 141056021
2-[2-(4-sulfanylpentanoyloxy)ethoxy]ethyl 4-sulfanylpentanoate
CID 87208223
ethane;propyl 2-(propan-2-ylamino)acetate
CID 158517744
pentyl 2-(propan-2-ylamino)acetate
CID 61304310
3-methoxypropyl 2-(propan-2-ylamino)acetate
CID 61277386
4-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 171803932
4-methylpentyl 4-(propan-2-ylamino)butanoate
CID 61304079
15-methylhexadecyl 4-methylpentanoate
CID 175048377
12-methyltridecyl 4-methylpentanoate
CID 175056359
3-hydroxypropyl 4-methylpentanoate
CID 87401837

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)acetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-methylpentanoate?
The IUPAC name of [2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)acetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-methylpentanoate (CID 158993180) is [2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)acetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-methylpentanoate.
What is the SMILES notation for [2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)acetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-methylpentanoate?
The canonical SMILES for [2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)acetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-methylpentanoate is CC(C)CCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCC(=O)OCCOCCOC(=O)COC(=O)COC(=O)COC(=O)COC(=O)COC(=O)COC(=O)COC(=O)COC(=O)CNC(C)C.
What is the InChIKey of [2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)acetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-methylpentanoate?
The InChIKey is IOOKUZJTCLYQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H61NO37/c1-28(2)5-6-30(49)70-14-34(53)74-18-38(57)78-22-42(61)82-26-46(65)84-24-44(63)80-20-40(59)76-16-36(55)72-12-32(51)68-9-7-67-8-10-69-33(52)13-73-37(56)17-77-41(60)21-81-45(64)25-85-47(66)27-83-43(62)23-79-39(58)19-75-35(54)15-71-31(50)11-48-29(3)4/h28-29,48H,5-27H2,1-4H3.
What are the key properties of [2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)acetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-methylpentanoate?
[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)acetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-methylpentanoate has a molecular weight of 1231.97 g/mol, XLogP of -5.79, 44 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)acetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-methylpentanoate is sourced from PubChem (CID 158993180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).